Geometry & MOs

Info

ID:

325808

PubChem CID:

126685061

Reduced:

ON6C21H22 (1)

Stoich.:

AB6C21D22 (1)

Weight, g/mol:

651.175035

ΔHf, kcal/mol:

64.98

Dipole, Da:

9.33

IP(EA), eV:

 -8.88(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-chloro-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)phenyl] (2S)-2-[[(2R,3R,4S,5R,6R)-2-butyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C2C(=CN(C2=N1)C3CCC3)C4CCC4N5C=CC6=C5NC(=O)N=C6

DOS

IR

Vibrations